4-(2-aminoethyl)-5-ethyl-2-pyrimidin-4-yl-4H-pyrazol-3-one

C11H15N5O — CID 79822670

IUPAC4-(2-aminoethyl)-5-ethyl-2-pyrimidin-4-yl-4H-pyrazol-3-one
SMILESCCC1=NN(c2ccncn2)C(=O)C1CCN
InChIInChI=1S/C11H15N5O/c1-2-9-8(3-5-12)11(17)16(15-9)10-4-6-13-7-14-10/h4,6-8H,2-3,5,12H2,1H3
InChIKeyJKXMCETZOWHXLI-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.55
Rot. Bonds4

About 4-(2-aminoethyl)-5-ethyl-2-pyrimidin-4-yl-4H-pyrazol-3-one

4-(2-aminoethyl)-5-ethyl-2-pyrimidin-4-yl-4H-pyrazol-3-one (PubChem CID 79822670) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-ethyl-2-pyrimidin-4-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-ethyl-2-pyrimidin-4-yl-4H-pyrazol-3-one
PubChem CID79822670
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name4-(2-aminoethyl)-5-ethyl-2-pyrimidin-4-yl-4H-pyrazol-3-one
SMILESCCC1=NN(c2ccncn2)C(=O)C1CCN
InChIInChI=1S/C11H15N5O/c1-2-9-8(3-5-12)11(17)16(15-9)10-4-6-13-7-14-10/h4,6-8H,2-3,5,12H2,1H3
InChIKeyJKXMCETZOWHXLI-UHFFFAOYSA-N
XLogP0.55
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-5-methyl-2-pyrimidin-4-yl-4H-pyrazol-3-one
CID 79822388
4-(3-aminopropyl)-5-propan-2-yl-2-pyrimidin-4-yl-4H-pyrazol-3-one
CID 79822578
4-(2-aminoethyl)-2-(2,5-dimethylphenyl)-5-ethyl-4H-pyrazol-3-one
CID 63972811
4-(2-aminoethyl)-5-ethyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one
CID 63973983
4-(2-aminoethyl)-5-ethyl-2-(3-methoxyphenyl)-4H-pyrazol-3-one
CID 114798834
4-(2-aminoethyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one
CID 63973200
4-(3-aminopropyl)-5-methyl-2-pyrazin-2-yl-4H-pyrazol-3-one
CID 81041179
2-(5-amino-2-pyridinyl)-5-ethyl-4-fluoro-4H-pyrazol-3-one
CID 131572870
2-pyrimidin-4-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 106468630
5-tert-butyl-2-pyrimidin-4-yl-4H-pyrazol-3-one
CID 79822644
4-(ethylamino)-3-pyrimidin-4-yl-1,3-oxazolidin-2-one
CID 90417995
4-(2-aminoethyl)-1,2-diphenylpyrazolidine-3,5-dione
CID 71334224

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-ethyl-2-pyrimidin-4-yl-4H-pyrazol-3-one?
The IUPAC name of 4-(2-aminoethyl)-5-ethyl-2-pyrimidin-4-yl-4H-pyrazol-3-one (CID 79822670) is 4-(2-aminoethyl)-5-ethyl-2-pyrimidin-4-yl-4H-pyrazol-3-one.
What is the SMILES notation for 4-(2-aminoethyl)-5-ethyl-2-pyrimidin-4-yl-4H-pyrazol-3-one?
The canonical SMILES for 4-(2-aminoethyl)-5-ethyl-2-pyrimidin-4-yl-4H-pyrazol-3-one is CCC1=NN(c2ccncn2)C(=O)C1CCN.
What is the InChIKey of 4-(2-aminoethyl)-5-ethyl-2-pyrimidin-4-yl-4H-pyrazol-3-one?
The InChIKey is JKXMCETZOWHXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-2-9-8(3-5-12)11(17)16(15-9)10-4-6-13-7-14-10/h4,6-8H,2-3,5,12H2,1H3.
What are the key properties of 4-(2-aminoethyl)-5-ethyl-2-pyrimidin-4-yl-4H-pyrazol-3-one?
4-(2-aminoethyl)-5-ethyl-2-pyrimidin-4-yl-4H-pyrazol-3-one has a molecular weight of 233.27 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5-ethyl-2-pyrimidin-4-yl-4H-pyrazol-3-one is sourced from PubChem (CID 79822670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).